mirror of
https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
*** empty log message ***
This commit is contained in:
Dave Goodwin
@@ -12,17 +12,62 @@
|
||||
HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7
|
||||
C3H8 CH2CHO CH3CHO </speciesArray>
|
||||
<reactionArray datasrc="#reaction_data"/>
|
||||
<state>
|
||||
<temperature units="K">300.0</temperature>
|
||||
<pressure units="Pa">101325.0</pressure>
|
||||
</state>
|
||||
<thermo model="IdealGas"/>
|
||||
<kinetics model="GasKinetics"/>
|
||||
<kinetics model="GRI30"/>
|
||||
<transport model="None"/>
|
||||
</phase>
|
||||
|
||||
<!-- phase gri30_mix -->
|
||||
<phase dim="3" id="gri30_mix">
|
||||
<elementArray datasrc="elements.xml"> O H C N Ar </elementArray>
|
||||
<speciesArray datasrc="#species_data">
|
||||
H2 H O O2 OH H2O HO2 H2O2 C CH
|
||||
CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O
|
||||
CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH
|
||||
N NH NH2 NH3 NNH NO NO2 N2O HNO CN
|
||||
HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7
|
||||
C3H8 CH2CHO CH3CHO </speciesArray>
|
||||
<reactionArray datasrc="#reaction_data"/>
|
||||
<state>
|
||||
<temperature units="K">300.0</temperature>
|
||||
<pressure units="Pa">101325.0</pressure>
|
||||
</state>
|
||||
<thermo model="IdealGas"/>
|
||||
<kinetics model="GRI30"/>
|
||||
<transport model="Mix"/>
|
||||
</phase>
|
||||
|
||||
<!-- phase gri30_multi -->
|
||||
<phase dim="3" id="gri30_multi">
|
||||
<elementArray datasrc="elements.xml"> O H C N Ar </elementArray>
|
||||
<speciesArray datasrc="#species_data">
|
||||
H2 H O O2 OH H2O HO2 H2O2 C CH
|
||||
CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O
|
||||
CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH
|
||||
N NH NH2 NH3 NNH NO NO2 N2O HNO CN
|
||||
HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7
|
||||
C3H8 CH2CHO CH3CHO </speciesArray>
|
||||
<reactionArray datasrc="#reaction_data"/>
|
||||
<state>
|
||||
<temperature units="K">300.0</temperature>
|
||||
<pressure units="Pa">101325.0</pressure>
|
||||
</state>
|
||||
<thermo model="IdealGas"/>
|
||||
<kinetics model="GRI30"/>
|
||||
<transport model="Multi"/>
|
||||
</phase>
|
||||
|
||||
<!-- species definitions -->
|
||||
<speciesData id="species_data">
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||||
|
||||
<!-- species H2 -->
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||||
<species name="H2">
|
||||
<atomArray>H:2 </atomArray>
|
||||
<note>TPIS78</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -48,6 +93,7 @@
|
||||
<!-- species H -->
|
||||
<species name="H">
|
||||
<atomArray>H:1 </atomArray>
|
||||
<note>L 7/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -73,6 +119,7 @@
|
||||
<!-- species O -->
|
||||
<species name="O">
|
||||
<atomArray>O:1 </atomArray>
|
||||
<note>L 1/90</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -98,6 +145,7 @@
|
||||
<!-- species O2 -->
|
||||
<species name="O2">
|
||||
<atomArray>O:2 </atomArray>
|
||||
<note>TPIS89</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -123,6 +171,7 @@
|
||||
<!-- species OH -->
|
||||
<species name="OH">
|
||||
<atomArray>H:1 O:1 </atomArray>
|
||||
<note>RUS 78</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -148,6 +197,7 @@
|
||||
<!-- species H2O -->
|
||||
<species name="H2O">
|
||||
<atomArray>H:2 O:1 </atomArray>
|
||||
<note>L 8/89</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -173,6 +223,7 @@
|
||||
<!-- species HO2 -->
|
||||
<species name="HO2">
|
||||
<atomArray>H:1 O:2 </atomArray>
|
||||
<note>L 5/89</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -198,6 +249,7 @@
|
||||
<!-- species H2O2 -->
|
||||
<species name="H2O2">
|
||||
<atomArray>H:2 O:2 </atomArray>
|
||||
<note>L 7/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -223,6 +275,7 @@
|
||||
<!-- species C -->
|
||||
<species name="C">
|
||||
<atomArray>C:1 </atomArray>
|
||||
<note>L11/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -248,6 +301,7 @@
|
||||
<!-- species CH -->
|
||||
<species name="CH">
|
||||
<atomArray>H:1 C:1 </atomArray>
|
||||
<note>TPIS79</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -273,6 +327,7 @@
|
||||
<!-- species CH2 -->
|
||||
<species name="CH2">
|
||||
<atomArray>H:2 C:1 </atomArray>
|
||||
<note>L S/93</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -298,6 +353,7 @@
|
||||
<!-- species CH2(S) -->
|
||||
<species name="CH2(S)">
|
||||
<atomArray>H:2 C:1 </atomArray>
|
||||
<note>L S/93</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -323,6 +379,7 @@
|
||||
<!-- species CH3 -->
|
||||
<species name="CH3">
|
||||
<atomArray>H:3 C:1 </atomArray>
|
||||
<note>L11/89</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -348,6 +405,7 @@
|
||||
<!-- species CH4 -->
|
||||
<species name="CH4">
|
||||
<atomArray>H:4 C:1 </atomArray>
|
||||
<note>L 8/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -373,6 +431,7 @@
|
||||
<!-- species CO -->
|
||||
<species name="CO">
|
||||
<atomArray>C:1 O:1 </atomArray>
|
||||
<note>TPIS79</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -398,6 +457,7 @@
|
||||
<!-- species CO2 -->
|
||||
<species name="CO2">
|
||||
<atomArray>C:1 O:2 </atomArray>
|
||||
<note>L 7/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -423,6 +483,7 @@
|
||||
<!-- species HCO -->
|
||||
<species name="HCO">
|
||||
<atomArray>H:1 C:1 O:1 </atomArray>
|
||||
<note>L12/89</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -448,6 +509,7 @@
|
||||
<!-- species CH2O -->
|
||||
<species name="CH2O">
|
||||
<atomArray>H:2 C:1 O:1 </atomArray>
|
||||
<note>L 8/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -473,6 +535,7 @@
|
||||
<!-- species CH2OH -->
|
||||
<species name="CH2OH">
|
||||
<atomArray>H:3 C:1 O:1 </atomArray>
|
||||
<note>GUNL93</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -498,6 +561,7 @@
|
||||
<!-- species CH3O -->
|
||||
<species name="CH3O">
|
||||
<atomArray>H:3 C:1 O:1 </atomArray>
|
||||
<note>121686</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -523,6 +587,7 @@
|
||||
<!-- species CH3OH -->
|
||||
<species name="CH3OH">
|
||||
<atomArray>H:4 C:1 O:1 </atomArray>
|
||||
<note>L 8/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -548,6 +613,7 @@
|
||||
<!-- species C2H -->
|
||||
<species name="C2H">
|
||||
<atomArray>H:1 C:2 </atomArray>
|
||||
<note>L 1/91</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -573,6 +639,7 @@
|
||||
<!-- species C2H2 -->
|
||||
<species name="C2H2">
|
||||
<atomArray>H:2 C:2 </atomArray>
|
||||
<note>L 1/91</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -598,6 +665,7 @@
|
||||
<!-- species C2H3 -->
|
||||
<species name="C2H3">
|
||||
<atomArray>H:3 C:2 </atomArray>
|
||||
<note>L 2/92</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -623,6 +691,7 @@
|
||||
<!-- species C2H4 -->
|
||||
<species name="C2H4">
|
||||
<atomArray>H:4 C:2 </atomArray>
|
||||
<note>L 1/91</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -648,6 +717,7 @@
|
||||
<!-- species C2H5 -->
|
||||
<species name="C2H5">
|
||||
<atomArray>H:5 C:2 </atomArray>
|
||||
<note>L12/92</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -673,6 +743,7 @@
|
||||
<!-- species C2H6 -->
|
||||
<species name="C2H6">
|
||||
<atomArray>H:6 C:2 </atomArray>
|
||||
<note>L 8/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -698,6 +769,7 @@
|
||||
<!-- species HCCO -->
|
||||
<species name="HCCO">
|
||||
<atomArray>H:1 C:2 O:1 </atomArray>
|
||||
<note>SRIC91</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -723,6 +795,7 @@
|
||||
<!-- species CH2CO -->
|
||||
<species name="CH2CO">
|
||||
<atomArray>H:2 C:2 O:1 </atomArray>
|
||||
<note>L 5/90</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -748,6 +821,7 @@
|
||||
<!-- species HCCOH -->
|
||||
<species name="HCCOH">
|
||||
<atomArray>H:2 C:2 O:1 </atomArray>
|
||||
<note>SRI91</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -773,6 +847,7 @@
|
||||
<!-- species N -->
|
||||
<species name="N">
|
||||
<atomArray>N:1 </atomArray>
|
||||
<note>L 6/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -798,6 +873,7 @@
|
||||
<!-- species NH -->
|
||||
<species name="NH">
|
||||
<atomArray>H:1 N:1 </atomArray>
|
||||
<note>And94</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -823,6 +899,7 @@
|
||||
<!-- species NH2 -->
|
||||
<species name="NH2">
|
||||
<atomArray>H:2 N:1 </atomArray>
|
||||
<note>And89</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -848,6 +925,7 @@
|
||||
<!-- species NH3 -->
|
||||
<species name="NH3">
|
||||
<atomArray>H:3 N:1 </atomArray>
|
||||
<note>J 6/77</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -873,6 +951,7 @@
|
||||
<!-- species NNH -->
|
||||
<species name="NNH">
|
||||
<atomArray>H:1 N:2 </atomArray>
|
||||
<note>T07/93</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -898,6 +977,7 @@
|
||||
<!-- species NO -->
|
||||
<species name="NO">
|
||||
<atomArray>O:1 N:1 </atomArray>
|
||||
<note>RUS 78</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -923,6 +1003,7 @@
|
||||
<!-- species NO2 -->
|
||||
<species name="NO2">
|
||||
<atomArray>O:2 N:1 </atomArray>
|
||||
<note>L 7/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -948,6 +1029,7 @@
|
||||
<!-- species N2O -->
|
||||
<species name="N2O">
|
||||
<atomArray>O:1 N:2 </atomArray>
|
||||
<note>L 7/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -973,6 +1055,7 @@
|
||||
<!-- species HNO -->
|
||||
<species name="HNO">
|
||||
<atomArray>H:1 O:1 N:1 </atomArray>
|
||||
<note>And93</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -998,6 +1081,7 @@
|
||||
<!-- species CN -->
|
||||
<species name="CN">
|
||||
<atomArray>C:1 N:1 </atomArray>
|
||||
<note>HBH92</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1023,6 +1107,7 @@
|
||||
<!-- species HCN -->
|
||||
<species name="HCN">
|
||||
<atomArray>H:1 C:1 N:1 </atomArray>
|
||||
<note>GRI/98</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1048,6 +1133,7 @@
|
||||
<!-- species H2CN -->
|
||||
<species name="H2CN">
|
||||
<atomArray>H:2 C:1 N:1 </atomArray>
|
||||
<note>41687</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1073,6 +1159,7 @@
|
||||
<!-- species HCNN -->
|
||||
<species name="HCNN">
|
||||
<atomArray>H:1 C:1 N:2 </atomArray>
|
||||
<note>SRI/94</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1098,6 +1185,7 @@
|
||||
<!-- species HCNO -->
|
||||
<species name="HCNO">
|
||||
<atomArray>H:1 C:1 O:1 N:1 </atomArray>
|
||||
<note>BDEA94</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1382.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1123,6 +1211,7 @@
|
||||
<!-- species HOCN -->
|
||||
<species name="HOCN">
|
||||
<atomArray>H:1 C:1 O:1 N:1 </atomArray>
|
||||
<note>BDEA94</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1368.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1148,6 +1237,7 @@
|
||||
<!-- species HNCO -->
|
||||
<species name="HNCO">
|
||||
<atomArray>H:1 C:1 O:1 N:1 </atomArray>
|
||||
<note>BDEA94</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1478.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1173,6 +1263,7 @@
|
||||
<!-- species NCO -->
|
||||
<species name="NCO">
|
||||
<atomArray>C:1 O:1 N:1 </atomArray>
|
||||
<note>EA 93</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1198,6 +1289,7 @@
|
||||
<!-- species N2 -->
|
||||
<species name="N2">
|
||||
<atomArray>N:2 </atomArray>
|
||||
<note>121286</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1223,6 +1315,7 @@
|
||||
<!-- species AR -->
|
||||
<species name="AR">
|
||||
<atomArray>Ar:1 </atomArray>
|
||||
<note>120186</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1248,6 +1341,7 @@
|
||||
<!-- species C3H7 -->
|
||||
<species name="C3H7">
|
||||
<atomArray>H:7 C:3 </atomArray>
|
||||
<note>L 9/84</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1273,6 +1367,7 @@
|
||||
<!-- species C3H8 -->
|
||||
<species name="C3H8">
|
||||
<atomArray>H:8 C:3 </atomArray>
|
||||
<note>L 4/85</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1298,6 +1393,7 @@
|
||||
<!-- species CH2CHO -->
|
||||
<species name="CH2CHO">
|
||||
<atomArray>H:3 C:2 O:1 </atomArray>
|
||||
<note>SAND86</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
@@ -1323,6 +1419,7 @@
|
||||
<!-- species CH3CHO -->
|
||||
<species name="CH3CHO">
|
||||
<atomArray>H:4 C:2 O:1 </atomArray>
|
||||
<note>L 8/88</note>
|
||||
<thermo>
|
||||
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
|
||||
Reference in New Issue
Block a user